SCHEMBL4909672

SCHEMBL4909672

COc1cc(C=O)cc(Cl)c1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 0.52
TSHR P16473 2/20 0.52
TDP1 Q9NUW8 3/20 0.47
HPGD P15428 3/20 0.47
TRIM24 O15164 1/20 0.47
ALDH5A1 P51649 1/20 0.47
ABAT P80404 1/20 0.47
TRIM33 Q9UPN9 1/20 0.47
KMT2A Q03164 2/20 0.46
FDPS P14324 1/20 0.44
AOX1 Q06278 1/20 0.43
MAPT P10636 6/20 0.42
CYP1A2 P05177 3/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP2D6 P10635 1/20 0.42
TTR P02766 1/20 0.41
L3MBTL1 Q9Y468 4/20 0.41
POLB P06746 1/20 0.41
KDM4E B2RXH2 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6938502 0.90 ALDH1A1 (0.57) ALDH1A1TSHRTDP1HPGDTRIM24
SCHEMBL524215 0.82 KMT2A (0.55) ALDH1A1TSHRTDP1HPGDTRIM24
SCHEMBL19628274 0.82 ALDH1A1 (0.50) ALDH1A1TSHRTDP1HPGDTRIM24
SCHEMBL564090 0.81 ERN1 (0.54) ALDH1A1TSHRTDP1HPGDTRIM24
SCHEMBL30842561 0.79 ALDH1A1 (0.47) ALDH1A1TSHRTDP1HPGDTRIM24
SCHEMBL1312098 0.78 ALDH1A1 (0.56) ALDH1A1TSHRTDP1HPGDKMT2A
SCHEMBL2391793 0.77 ALDH1A1 (0.46) ALDH1A1TSHRTDP1HPGDTRIM24
SCHEMBL16471656 0.77 ALDH1A1 (0.45) ALDH1A1TSHRTDP1HPGDTRIM24
SCHEMBL335717 0.76 ALDH1A1 (0.68) ALDH1A1TSHRTDP1HPGDTRIM24
SCHEMBL29952908 0.76 ALDH1A1 (0.68) ALDH1A1TSHRTDP1HPGDTRIM24

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7790896-B2 RNA-selective probes for live cell imaging of nuclear structure and function NEW YORK UNIVERSITY (US) 2010-09-07 US disclosed
US-7790896-B2 RNA-selective probes for live cell imaging of nuclear structure and function NEW YORK UNIVERSITY (US) 2010-09-07 US disclosed
EP-1984377-A2 INHIBITORS OF TNF ALPHA , PDE4 AND B-RAF, COMPOSITIONS THEREOF AND METHODS OF USE THEREWITH Signal Pharmaceuticals LLC (US) 2008-10-29 EP disclosed
US-20080064037-A1 RNA-SELECTIVE PROBES FOR LIVE CELL IMAGING OF NUCLEAR STRUCTURE AND FUNCTION NEW YORK UNIVERSITY (US) 2008-03-13 US disclosed
US-20080064037-A1 RNA-SELECTIVE PROBES FOR LIVE CELL IMAGING OF NUCLEAR STRUCTURE AND FUNCTION NEW YORK UNIVERSITY (US) 2008-03-13 US disclosed
US-20080004271-A1 Inhibitors of TNFalpha, PDE4 and B-RAF, compositions thereof and methods of use therewith MCKENNA JEFFREY M 2008-01-03 US disclosed
WO-2007084560-A2 INHIBITORS OF TNFα, PDE4 AND B-RAF, COMPOSITIONS THEREOF AND METHODS OF USE THEREWITH SIGNAL PHARMACEUTICALS, LLC (US) 2007-07-26 WO disclosed
US-4003927-A DIURETICS MERCK & CO., INC. (US) 1977-01-18 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080064037-A1 RNA-SELECTIVE PROBES FOR LIVE CELL IMAGING OF NUCLEAR STRUCTURE AND FUNCTION SNRPE, HNRNPUL2, EFTUD2 ALDH1A1 4222/4885TSHR 3429/4885TDP1 687/4885
US-20080004271-A1 Inhibitors of TNFalpha, PDE4 and B-RAF, compositions thereof and methods of use therewith PDE4A, PDE4B, BRAF ALDH1A1 1662/4885TSHR 1074/4885TDP1 411/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.